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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3S)-8-(2-fluorobenzoyl)-4-(4-fluorobenzoyl)-N-(2-furylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3S)-8-(2-fluorobenzoyl)-4-(4-fl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 7.93 -20.04 1 8 0 92 509.509 5 ↓

Analogs

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Popular Name: (3R)-8-(2-fluorobenzoyl)-4-(4-fluorobenzoyl)-N-(2-furylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3R)-8-(2-fluorobenzoyl)-4-(4-fl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 7.58 -20.03 1 8 0 92 509.509 5 ↓

Analogs

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Popular Name: (3S)-8-(3-fluorobenzoyl)-4-(4-fluorobenzoyl)-N-(2-furylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3S)-8-(3-fluorobenzoyl)-4-(4-fl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 7.87 -19.26 1 8 0 92 509.509 5 ↓

Analogs

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Popular Name: (3R)-8-(3-fluorobenzoyl)-4-(4-fluorobenzoyl)-N-(2-furylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3R)-8-(3-fluorobenzoyl)-4-(4-fl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 7.51 -17.43 1 8 0 92 509.509 5 ↓

Analogs

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Popular Name: (3S)-4-(4-fluorobenzoyl)-N-(2-furylmethyl)-8-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3S)-4-(4-fluorobenzoyl)-N-(2-fu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 8.46 -18.61 1 8 0 92 505.546 5 ↓

Analogs

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Popular Name: (3R)-4-(4-fluorobenzoyl)-N-(2-furylmethyl)-8-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3R)-4-(4-fluorobenzoyl)-N-(2-fu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 8.11 -17.36 1 8 0 92 505.546 5 ↓

Analogs

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Popular Name: (3S)-8-(3-fluorobenzoyl)-N-(2-furylmethyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-ca (3S)-8-(3-fluorobenzoyl)-N-(2-fu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 6.88 -19.81 1 9 0 101 521.545 6 ↓

Analogs

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Popular Name: (3R)-8-(3-fluorobenzoyl)-N-(2-furylmethyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-ca (3R)-8-(3-fluorobenzoyl)-N-(2-fu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 7.04 -17.75 1 9 0 101 521.545 6 ↓

Analogs

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Popular Name: (3S)-4-benzoyl-N-(2-furylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3S)-4-benzoyl-N-(2-furylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 8.28 -18.36 1 8 0 92 487.556 5 ↓

Analogs

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Popular Name: (3R)-4-benzoyl-N-(2-furylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3R)-4-benzoyl-N-(2-furylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 8.38 -17.72 1 8 0 92 487.556 5 ↓

Analogs

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Popular Name: (3S)-N-(2-furylmethyl)-4-(3-methylbenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3S)-N-(2-furylmethyl)-4-(3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 9.06 -19.02 1 8 0 92 501.583 5 ↓

Analogs

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Popular Name: (3R)-N-(2-furylmethyl)-4-(3-methylbenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3R)-N-(2-furylmethyl)-4-(3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 8.72 -17.9 1 8 0 92 501.583 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-8-(4-fluorobenzoyl)-N-(2-furylmethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3S)-8-(4-fluorobenzoyl)-N-(2-fu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 8.22 -15.27 1 8 0 92 505.546 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-8-(4-fluorobenzoyl)-N-(2-furylmethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3R)-8-(4-fluorobenzoyl)-N-(2-fu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 8.38 -16.16 1 8 0 92 505.546 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-furylmethyl)-4-(3-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-ca (3S)-N-(2-furylmethyl)-4-(3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 7.58 -21.13 1 9 0 101 517.582 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-4-(3-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-ca (3R)-N-(2-furylmethyl)-4-(3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 7.56 -22.71 1 9 0 101 517.582 6 ↓

Parameters Provided:

ring.id = 21003
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 21003 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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